Conrad Naber Endowed Chair
Hybrid Materials Interfaces
Grenzflächen in der Bio-Nano-Werkstofftechnik
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Impressum
| 2024 | 2023 | 2022 | 2021 | 2020 | 2019-2017 | 2016-2014 | 2013-2011 | 2010-2007 |
Papers
| 10. | D. Campisi, A.G.G.M. Tielens, W. Dononelli
The role of point defect reconstructions and polycyclic aromatic hydrocarbons (PAHs) in silicate dust preservation Submitted |
| 9. | H. Wang, S. Benter, W. Dononelli, T. Neudecker
JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation Submitted ChemRxiv |
| 8. | M. Vollbrecht, K. Pramanik, L. Colombi Ciacchi, L. Mädler
Investigating the compositional space of gas-phase synthesized fayalitic model slags aiming at cobalt recovery Submitted |
| 7. | E. Macke, I. Timrov, N. Marzari, L. Colombi Ciacchi
Orbital-resolved DFT+U for molecules and solids Submitted |
| 6. | A. Pazhedath, L. Bastonero, N. Marzari, M. Simoncelli
First-principles characterization of thermal conductivity in LaPO4-based alloys Submitted arXiv |
| 5. | F. Zeller, C.-M. Hsieh, W. Dononelli, T. Neudecker
Computational high-pressure chemistry: ab initio simulations of atoms, molecules and extended materials in the gigapascal regime WIREs Computational Molecular Science 14, e1708 (2024) Full text ; ChemRxiv |
| 4. | L. Bastonero, N. Marzari
Automated all-functionals infrared and Raman spectra npj Computational Materials 10, 55 (2024) Full text ; arXiv ; Materials Cloud Archive |
| 3. | Y.-X. Tsai, N.-E. Chang, K. Reuter, H.-T. Chang, T.-J. Yang, S. von Bülow, N. Zerrouki, M. Gecht, C. Penet, I.L. Grothaus, L. Colombi Ciacchi, K.-H. Khoo, G. Hummer, S.-T.D. Hsu; C. Hanus, M. Sikora
Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries Cell 187, 1296-1311 (2024) Full text ; Press release |
| 2. | M.I. Guanipa Ortiz, Y.R. Corrales Ureña, F.H. Baggio Aguiar, D.A.N. Leite Lima, K. Rischka
Enzymatically driven mineralization of a calcium-polyphosphate bleaching gel Bioengineering 11, 83 (2024) Full text |
| 1. | C. Arend, I.L. Grothaus, M. Waespy, L. Colombi Ciacchi, R. Dringen
Modulation of multidrug resistance protein 1-mediated transport processes by the antiviral drug ritonavir in cultured primary astrocytes Neurochemical Research 49, 66-84 (2024) Full text |
